(6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

C15H17FN2O3 — CID 75529075

About (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

(6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 75529075) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

Molecular Properties

• Compound Name: (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
• PubChem CID: 75529075
• Molecular Formula: C15H17FN2O3
• Molecular Weight: 292.31 g/mol
• Exact Mass: 292.12
• IUPAC Name: (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
• SMILES: O=C1OC[C@@H]2CCN(C3COC3)Cc3ccc(F)cc3N12
• InChI: InChI=1S/C15H17FN2O3/c16-11-2-1-10-6-17(13-7-20-8-13)4-3-12-9-21-15(19)18(12)14(10)5-11/h1-2,5,12-13H,3-4,6-9H2/t12-/m0/s1
• InChIKey: UAJIXSYCUGUCPP-LBPRGKRZSA-N
• XLogP: 1.76
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.31
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The IUPAC name of (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 75529075) is (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

What is the SMILES notation for (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The canonical SMILES for (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is O=C1OC[C@@H]2CCN(C3COC3)Cc3ccc(F)cc3N12.

What is the InChIKey of (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The InChIKey is UAJIXSYCUGUCPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-2-1-10-6-17(13-7-20-8-13)4-3-12-9-21-15(19)18(12)14(10)5-11/h1-2,5,12-13H,3-4,6-9H2/t12-/m0/s1.

What are the key properties of (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

(6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one has a molecular weight of 292.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-14-fluoro-9-(oxetan-3-yl)-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 75529075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).